1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol iodide

Systemtic Name: 1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol iodide Openeye Name: 1-(4-isopropylphenoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(3-methyl-2-propyl-1-benzimidazol-3-iumyl)-3-(4-propan-2-ylphenoxy)-2-propanol iodide IUPAC Name: 1-(3-methyl-2-propylbenzimidazol-3-ium-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol iodide Traditional Name: 1-(4-isopropylphenoxy)-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C23H31IN2O2 MolecularWeight: 494.40891

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=C(C=C3)C(C)C)O)C.[I-]

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=C(C=C3)C(C)C)O)C.[I-]

InChI

InChI=1S/C23H31N2O2.HI/c1-5-8-23-24(4)21-9-6-7-10-22(21)25(23)15-19(26)16-27-20-13-11-18(12-14-20)17(2)3;/h6-7,9-14,17,19,26H,5,8,15-16H2,1-4H3;1H/q+1;/p-1